SIMILAR PATTERNS OF AMINO ACIDS FOR 1DHI_A_MTXA161_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ckm MRNA CAPPING ENZYME

(Paramecium
bursaria
Chlorella virus
1) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		5 ILE A 318
LEU A 324
ILE A 217
LEU A  72
ILE A  64
 None
 0.98A 1dhiA-1ckmA:
undetectable		 1dhiA-1ckmA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 ALA A   8
ILE A  51
ARG A  53
LEU A  55
ARG A  58
ILE A 100
THR A 121
 None
 0.75A 1dhiA-1cz3A:
19.8		 1dhiA-1cz3A:
28.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.72A 1dhiA-1dr6A:
19.9		 1dhiA-1dr6A:
33.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ILE A   7
ALA A   9
SER A  59
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.1A)
None
HBI  A 198 ( 4.5A)
 0.81A 1dhiA-1dr6A:
19.9		 1dhiA-1dr6A:
33.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 177
SER A  85
ILE A  89
LEU A  94
ARG A 253
ILE A 104
 None
 1.18A 1dhiA-1e5mA:
undetectable		 1dhiA-1e5mA:
16.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.66A 1dhiA-1u70A:
19.6		 1dhiA-1u70A:
33.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 ( 4.7A)
None
None
None
MXA  A 187 (-4.3A)
 0.55A 1dhiA-1u71A:
19.8		 1dhiA-1u71A:
32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ILE A   7
ALA A   9
SER A  59
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
None
MXA  A 187 (-4.3A)
 0.79A 1dhiA-1u71A:
19.8		 1dhiA-1u71A:
32.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		6 ILE A 311
LEU A  93
LYS A  97
ILE A 143
LEU A 106
ILE A 312
 None
 1.20A 1dhiA-1z26A:
undetectable		 1dhiA-1z26A:
11.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.63A 1dhiA-1zdrA:
23.9		 1dhiA-1zdrA:
39.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.71A 1dhiA-2blbA:
19.3		 1dhiA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
SER A 120
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.64A 1dhiA-2blbA:
19.3		 1dhiA-2blbA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzu FIBER PROTEIN 2

(Human
mastadenovirus
F) 		PF00541
(Adeno_knob) 		5 ILE A 267
LYS A 365
ILE A 244
LEU A 284
ILE A 269
 None
 0.96A 1dhiA-2bzuA:
undetectable		 1dhiA-2bzuA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzu FIBER PROTEIN 2

(Human
mastadenovirus
F) 		PF00541
(Adeno_knob) 		5 ILE A 267
SER A 243
ILE A 244
LEU A 284
ILE A 269
 None
 0.70A 1dhiA-2bzuA:
undetectable		 1dhiA-2bzuA:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		5 ILE A 749
LEU A 781
ILE A 802
LEU A 835
ILE A 746
 None
 0.98A 1dhiA-2ec5A:
2.3		 1dhiA-2ec5A:
11.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A  93
ILE A  87
ARG A 112
LEU A 111
ILE A  77
 None
 0.87A 1dhiA-2f3oA:
undetectable		 1dhiA-2f3oA:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
ILE A  84
LEU A  91
ARG A  94
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 0.68A 1dhiA-2h2qA:
18.9		 1dhiA-2h2qA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
LEU A  91
ARG A  94
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
 0.45A 1dhiA-2h2qA:
18.9		 1dhiA-2h2qA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
SER A  83
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
NAP  A 523 ( 4.4A)
None
None
None
 0.81A 1dhiA-2h2qA:
18.9		 1dhiA-2h2qA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijx DNA POLYMERASE
SLIDING CLAMP A

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ILE A  15
ALA A  25
LEU A  21
LEU A 207
ILE A  14
 None
 1.02A 1dhiA-2ijxA:
undetectable		 1dhiA-2ijxA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  33
ILE A  62
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.70A 1dhiA-2oipA:
20.1		 1dhiA-2oipA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  33
SER A  61
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.80A 1dhiA-2oipA:
20.1		 1dhiA-2oipA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p67 LAO/AO TRANSPORT
SYSTEM KINASE

(Escherichia
coli) 		PF03308
(ArgK) 		5 ILE A 246
LEU A  71
SER A 173
ILE A 172
ILE A 249
 None
 0.99A 1dhiA-2p67A:
3.3		 1dhiA-2p67A:
19.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		9 ALA A   8
LEU A  29
LYS A  33
ILE A  51
ARG A  53
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.59A 1dhiA-2qk8A:
24.2		 1dhiA-2qk8A:
40.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.96A 1dhiA-2rjqA:
undetectable		 1dhiA-2rjqA:
16.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
LEU A  32
SER A  53
LEU A  61
ARG A  64
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.83A 1dhiA-2w3wA:
23.4		 1dhiA-2w3wA:
33.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
LEU A  28
LYS A  32
SER A  49
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 (-3.5A)
None
None
None
TOP  A1160 ( 4.5A)
 0.74A 1dhiA-2w9sA:
24.0		 1dhiA-2w9sA:
37.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.64A 1dhiA-2w9sA:
24.0		 1dhiA-2w9sA:
37.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		6 ALA A 142
SER A 254
ILE A 253
LEU A 335
ARG A 111
ILE A 113
 None
 1.22A 1dhiA-2x24A:
undetectable		 1dhiA-2x24A:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		6 ILE A 147
SER A 254
ILE A 253
LEU A 335
ARG A 111
ILE A 113
 None
 1.25A 1dhiA-2x24A:
undetectable		 1dhiA-2x24A:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ab1 FERREDOXIN--NADP
REDUCTASE

(Chlorobaculum
tepidum) 		PF07992
(Pyr_redox_2) 		5 ALA A  66
LEU A 313
SER A  79
LEU A  53
ILE A  62
 None
None
None
FAD  A 361 (-4.8A)
FAD  A 361 ( 4.1A)
 0.84A 1dhiA-3ab1A:
2.1		 1dhiA-3ab1A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.90A 1dhiA-3b8zA:
undetectable		 1dhiA-3b8zA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  27
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.69A 1dhiA-3dfrA:
22.8		 1dhiA-3dfrA:
28.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.68A 1dhiA-3dg8A:
19.5		 1dhiA-3dg8A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
SER A 111
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.69A 1dhiA-3dg8A:
19.5		 1dhiA-3dg8A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 ILE A 165
ALA A 169
LEU A 177
ILE A  73
ILE A 162
 None
 0.99A 1dhiA-3f9kA:
undetectable		 1dhiA-3f9kA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goz LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN

(Legionella
pneumophila) 		no annotation 5 LEU A 179
SER A 193
ILE A 194
LEU A 201
ILE A 223
 None
 0.95A 1dhiA-3gozA:
undetectable		 1dhiA-3gozA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		5 ILE A  64
LEU A 107
SER A 125
ILE A 124
LEU A 117
 None
 0.71A 1dhiA-3hpdA:
undetectable		 1dhiA-3hpdA:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA X   7
LEU X  28
LYS X  32
SER X  49
ILE X  50
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.91A 1dhiA-3i8aX:
24.0		 1dhiA-3i8aX:
36.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		12 ILE A   6
ALA A   8
LEU A  29
LYS A  33
SER A  50
ILE A  51
ARG A  53
LEU A  55
ARG A  58
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.60A 1dhiA-3ia4A:
26.5		 1dhiA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ILE A   8
ALA A  10
LEU A  31
LYS A  35
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.66A 1dhiA-3ix9A:
23.4		 1dhiA-3ix9A:
35.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.77A 1dhiA-3kjrA:
20.3		 1dhiA-3kjrA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
SER A  72
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
None
 0.79A 1dhiA-3kjrA:
20.3		 1dhiA-3kjrA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n3w RIBONUCLEASE III

(Campylobacter
jejuni) 		PF14622
(Ribonucleas_3_3) 		6 ALA A  24
LEU A   7
ILE A 134
ARG A 137
LEU A 138
ILE A 119
 None
 1.40A 1dhiA-3n3wA:
undetectable		 1dhiA-3n3wA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n7z ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A 343
ALA A 345
LEU A 307
LEU A 291
ILE A 284
 None
 1.01A 1dhiA-3n7zA:
undetectable		 1dhiA-3n7zA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		5 ILE A 239
ALA A 237
LEU A 250
LYS A 221
ILE A 204
 None
None
None
GKR  A 472 (-3.0A)
None
 1.02A 1dhiA-3p0wA:
undetectable		 1dhiA-3p0wA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
LEU A  97
ARG A 100
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
None
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.42A 1dhiA-3rg9A:
18.8		 1dhiA-3rg9A:
27.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
SER A  89
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.82A 1dhiA-3rg9A:
18.8		 1dhiA-3rg9A:
27.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rq1 AMINOTRANSFERASE
CLASS I AND II

(Veillonella
parvula) 		PF00155
(Aminotran_1_2) 		6 ILE A 360
ALA A 365
ILE A 377
LEU A 401
ILE A 388
THR A 362
 None
 1.42A 1dhiA-3rq1A:
2.7		 1dhiA-3rq1A:
16.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ALA A   7
SER A  50
ILE A  51
LEU A  55
ARG A  58
 NDP  A1001 ( 4.1A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.98A 1dhiA-3tq9A:
23.7		 1dhiA-3tq9A:
43.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		10 ILE A   6
ALA A   8
LEU A  29
LYS A  33
SER A  50
ILE A  51
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
None
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.50A 1dhiA-3tq9A:
23.7		 1dhiA-3tq9A:
43.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ILE A  94
LYS A  33
SER A  50
ILE A  51
LEU A  55
ILE A  96
 None
None
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
 1.46A 1dhiA-3tq9A:
23.7		 1dhiA-3tq9A:
43.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u3g RIBONUCLEASE H

(uncultured
organism) 		no annotation 5 ILE D  25
LEU D  57
LEU D  67
ILE D   4
THR D   8
 None
 0.77A 1dhiA-3u3gD:
undetectable		 1dhiA-3u3gD:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.46A 1dhiA-3um6A:
19.5		 1dhiA-3um6A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A  14
SER A 111
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.78A 1dhiA-3um6A:
19.5		 1dhiA-3um6A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
 0.80A 1dhiA-3um6A:
19.5		 1dhiA-3um6A:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
LYS A  33
ILE A  57
LEU A  64
ARG A  67
ILE A 111
TYR A 117
THR A 133
 None
 0.83A 1dhiA-3vcoA:
18.9		 1dhiA-3vcoA:
28.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
SER A  56
LEU A  64
ARG A  67
TYR A 117
THR A 133
 None
 0.75A 1dhiA-3vcoA:
18.9		 1dhiA-3vcoA:
28.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 5 ILE B 170
LEU B 249
LEU B 242
ILE B 193
THR B 138
 None
 0.98A 1dhiA-3wlxB:
2.8		 1dhiA-3wlxB:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		6 ILE A1748
SER A1855
ILE A1854
LEU A1936
ARG A1712
ILE A1714
 None
 1.39A 1dhiA-4asiA:
undetectable		 1dhiA-4asiA:
10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 356
ALA A 286
ILE A 413
ILE A 384
THR A 336
 None
 0.97A 1dhiA-4bruA:
undetectable		 1dhiA-4bruA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 ALA A 204
LEU A 245
ILE A 263
LEU A 314
ILE A 219
 None
 0.90A 1dhiA-4c2fA:
undetectable		 1dhiA-4c2fA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ILE A 313
ALA A 311
LEU A 304
LEU A 281
ILE A 316
 None
 0.97A 1dhiA-4cnkA:
undetectable		 1dhiA-4cnkA:
15.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		9 ILE X  10
ALA X  12
SER X  64
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.69A 1dhiA-4g8zX:
19.1		 1dhiA-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
LYS A  37
ILE A  62
LEU A  69
ARG A  72
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.94A 1dhiA-4h96A:
17.3		 1dhiA-4h96A:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
LYS A  37
SER A  61
LEU A  69
ARG A  72
ILE A 112
TYR A 118
 14Q  A 202 (-4.3A)
None
14Q  A 202 (-3.9A)
None
None
14Q  A 202 ( 4.2A)
None
 0.85A 1dhiA-4h96A:
17.3		 1dhiA-4h96A:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
SER A  61
ILE A  62
LEU A  69
ARG A  72
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.74A 1dhiA-4h98A:
17.8		 1dhiA-4h98A:
27.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lg4 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		6 ILE A 126
LEU A 131
SER A 206
ILE A 147
LEU A 162
ILE A 152
 None
 1.49A 1dhiA-4lg4A:
undetectable		 1dhiA-4lg4A:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 237
ALA A  88
ILE A 146
ILE A 236
THR A   8
 None
 0.97A 1dhiA-4ls5A:
undetectable		 1dhiA-4ls5A:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ls9 DHH FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 145
LEU A 105
LEU A  59
ILE A 133
THR A 144
 None
 0.96A 1dhiA-4ls9A:
undetectable		 1dhiA-4ls9A:
20.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  57
ARG A  60
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
None
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.40A 1dhiA-4m2xA:
21.8		 1dhiA-4m2xA:
34.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
SER A  49
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
NDP  A 201 (-3.6A)
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.71A 1dhiA-4m2xA:
21.8		 1dhiA-4m2xA:
34.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
LEU A  28
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.67A 1dhiA-4m7vA:
23.1		 1dhiA-4m7vA:
37.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mjz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Toxoplasma
gondii) 		PF00215
(OMPdecase) 		5 ALA A 256
LEU A 274
SER A  38
ILE A  33
ARG A 222
 None
 0.87A 1dhiA-4mjzA:
undetectable		 1dhiA-4mjzA:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
LYS A  32
ILE A  50
ARG A  57
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.46A 1dhiA-4p68A:
28.0		 1dhiA-4p68A:
96.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
SER A  49
ARG A  57
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.67A 1dhiA-4p68A:
28.0		 1dhiA-4p68A:
96.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ALA A 768
LYS A 747
ILE A 713
ILE A 735
THR A 772
 None
 0.97A 1dhiA-4pj6A:
undetectable		 1dhiA-4pj6A:
10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qr8 XAA-PRO DIPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 ALA A 225
LEU A 394
ILE A 314
LEU A 309
ILE A 387
 None
 0.92A 1dhiA-4qr8A:
undetectable		 1dhiA-4qr8A:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rv7 DIADENYLATE CYCLASE

(Listeria
monocytogenes) 		PF02457
(DisA_N) 		5 LEU A  12
SER A  33
ILE A  32
LEU A  59
ILE A  81
 HEZ  A1003 ( 4.9A)
None
None
None
None
 0.88A 1dhiA-4rv7A:
undetectable		 1dhiA-4rv7A:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ci5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudothermotoga
lettingae) 		PF13416
(SBP_bac_8) 		5 ALA A 366
SER A 377
ILE A 376
LEU A 409
TYR A 198
 None
 0.97A 1dhiA-5ci5A:
undetectable		 1dhiA-5ci5A:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dlj CRISPR-ASSOCIATED
ENDORIBONUCLEASE
CAS2

(Escherichia
coli) 		no annotation 5 ILE F  47
SER F   2
LEU F  23
ILE F  43
THR F  72
 None
 0.97A 1dhiA-5dljF:
undetectable		 1dhiA-5dljF:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.49A 1dhiA-5dxvA:
17.1		 1dhiA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
SER A  66
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.69A 1dhiA-5dxvA:
17.1		 1dhiA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.64A 1dhiA-5dxvA:
17.1		 1dhiA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
LEU A  45
SER A  66
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.82A 1dhiA-5dxvA:
17.1		 1dhiA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
SER A  50
LEU A  55
TYR A 101
THR A 114
 None
 0.73A 1dhiA-5fdaA:
19.5		 1dhiA-5fdaA:
79.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.57A 1dhiA-5fdaA:
19.5		 1dhiA-5fdaA:
79.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ILE A  51
ARG A  53
LEU A  55
TYR A 101
 None
 0.93A 1dhiA-5fdaA:
19.5		 1dhiA-5fdaA:
79.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 141
LEU A 101
LEU A  55
ILE A 129
THR A 140
 None
 0.91A 1dhiA-5jjuA:
undetectable		 1dhiA-5jjuA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
SER A  86
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
NDP  A 702 (-3.8A)
None
None
None
73X  A 704 (-4.2A)
 0.71A 1dhiA-5t0lA:
20.2		 1dhiA-5t0lA:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um8 GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 0.92A 1dhiA-5um8G:
undetectable		 1dhiA-5um8G:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vn3 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 0.95A 1dhiA-5vn3G:
undetectable		 1dhiA-5vn3G:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.67A 1dhiA-6cxmA:
20.5		 1dhiA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
LEU A  29
SER A  50
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.88A 1dhiA-6cxmA:
20.5		 1dhiA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.52A 1dhiA-6cxmA:
20.5		 1dhiA-6cxmA:
29.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dcq ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ILE A 215
ALA A  55
LEU A  52
LEU A 483
ILE A 251
 None
 0.98A 1dhiA-6dcqA:
undetectable		 1dhiA-6dcqA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 7 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.68A 1dhiA-6e4eA:
24.0		 1dhiA-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 6 ILE L  95
ALA L 206
SER L 245
ILE L 247
ILE L  94
THR L 212
 None
 1.14A 1dhiA-6ehsL:
undetectable		 1dhiA-6ehsL:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 6 ILE L  95
ALA L 206
SER L 245
ILE L 247
LEU L 439
THR L 212
 None
 1.08A 1dhiA-6ehsL:
undetectable		 1dhiA-6ehsL:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ft1 FLAVODOXIN

(Bacillus cereus) 		no annotation 5 ILE A  38
ALA A  57
ILE A  53
LEU A  47
ILE A   7
 None
 0.85A 1dhiA-6ft1A:
undetectable		 1dhiA-6ft1A:
20.25